9TH
  CCTOOLS-0904261735

 70 78  0  0  0  0  0  0  0  0999 V2000
    0.4830   -0.6810    3.8810 CL  0  5  0  0  0
    1.4330    1.5920    0.0900 C   0  0  0  0  0
    0.4800    0.4860   -0.2650 C   0  0  0  0  0
   -0.8270    0.6970   -0.6920 C   0  0  0  0  0
    0.9350   -0.7240   -0.0130 N   0  0  0  0  0
    0.1810   -1.7600   -0.3680 C   0  0  0  0  0
   -1.1300   -1.6400   -0.7690 C   0  0  0  0  0
   -1.6750   -0.3860   -0.9990 C   0  0  0  0  0
   -3.1370   -0.2120   -1.3750 C   0  0  0  0  0
   -3.8100    1.0080   -1.1830 C   0  0  0  0  0
   -5.1570    1.1580   -1.4580 C   0  0  0  0  0
   -3.9290   -1.2860   -1.8280 C   0  0  0  0  0
   -5.2760   -1.1440   -2.1090 C   0  0  0  0  0
   -5.8930    0.0840   -1.9300 C   0  0  0  0  0
   -7.6160    0.2960   -2.2710 S   0  0  0  0  0
   -7.7600    1.5200   -2.9870 O   0  0  0  0  0
   -8.1140   -0.9060   -2.8560 O   0  0  0  0  0
   -8.3720    0.4800   -0.8700 N   0  0  0  0  0
    2.3270    1.2000    1.1910 N   0  5  0  0  0
    3.8670    1.7810    1.1940 S   0  0  0  0  0
    4.3850    1.7630    2.5370 O   0  0  0  0  0
    3.8790    3.0830    0.5730 O   0  0  0  0  0
    4.9010    0.7130    0.2340 C   0  0  0  0  0
    6.0080    1.2370   -0.4100 C   0  0  0  0  0
    6.8220    0.3990   -1.1520 C   0  0  0  0  0
    6.5430   -0.9430   -1.2400 C   0  0  0  0  0
    5.4500   -1.4600   -0.5900 C   0  0  0  0  0
    4.6230   -0.6390    0.1570 C   0  0  0  0  0
    1.5930   -1.8790    3.7570 C   0  5  0  0  0
    2.2580   -3.2160    3.9590 C   0  0  0  0  0
    0.3050   -1.7380    3.1350 C   0  0  0  0  0
   -0.5540   -2.9040    2.7010 C   0  0  0  0  0
    0.0110   -0.3260    3.0290 C   0  0  0  0  0
   -1.2770    0.3190    2.5560 C   0  0  0  0  0
    1.1320    0.3880    3.5940 C   0  0  0  0  0
    1.2170    1.8880    3.7860 C   0  0  0  0  0
    2.1150   -0.5800    4.0240 C   0  0  0  0  0
    3.4560   -0.3630    4.6740 C   0  0  0  0  0
    1.8510   -0.8350    1.8980 IR  0  0  0  0  0
    0.9270    2.3950    0.3530 H   0  0  0  0  0
    1.9680    1.8140   -0.7080 H   0  0  0  0  0
   -1.1380    1.5730   -0.7760 H   0  0  0  0  0
    0.5280   -2.6310   -0.2200 H   0  0  0  0  0
   -1.6290   -2.4210   -0.9300 H   0  0  0  0  0
   -3.3420    1.7520   -0.8570 H   0  0  0  0  0
   -3.5390   -2.1290   -1.9610 H   0  0  0  0  0
   -5.5700    1.9900   -1.3330 H   0  0  0  0  0
   -5.7640   -1.8780   -2.4260 H   0  0  0  0  0
   -8.0530    1.1200   -0.3910 H   0  0  0  0  0
    6.2010    2.1520   -0.3530 H   0  0  0  0  0
    3.8820   -0.9970    0.5970 H   0  0  0  0  0
    7.5700    0.7530   -1.5980 H   0  0  0  0  0
    7.1020   -1.5090   -1.7480 H   0  0  0  0  0
    5.2610   -2.3790   -0.6520 H   0  0  0  0  0
    3.1560   -3.1020    4.3040 H   0  0  0  0  0
    2.3090   -3.6880    3.1110 H   0  0  0  0  0
    1.7410   -3.7450    4.5890 H   0  0  0  0  0
   -1.3860   -2.5830    2.3170 H   0  0  0  0  0
   -0.7590   -3.4610    3.4690 H   0  0  0  0  0
   -0.0830   -3.4330    2.0380 H   0  0  0  0  0
   -1.8690    0.4800    3.3110 H   0  0  0  0  0
   -1.7260   -0.2640    1.9250 H   0  0  0  0  0
   -1.0840    1.1650    2.1230 H   0  0  0  0  0
    2.1430    2.1670    3.8230 H   0  0  0  0  0
    0.7780    2.1330    4.6170 H   0  0  0  0  0
    0.7800    2.3460    3.0500 H   0  0  0  0  0
    3.5920    0.5780    4.8610 H   0  0  0  0  0
    4.1580   -0.6770    4.0810 H   0  0  0  0  0
    3.4970   -0.8590    5.5080 H   0  0  0  0  0
   -8.5200   -0.2620   -0.4610 H   0  0  0  0  0
  1 39  1  0  0  0
  2  3  1  0  0  0
  2 19  1  0  0  0
  2 40  1  0  0  0
  2 41  1  0  0  0
  3  4  1  0  0  0
  3  5  2  0  0  0
  4  8  2  0  0  0
  4 42  1  0  0  0
  5  6  1  0  0  0
  5 39  1  0  0  0
  6  7  2  0  0  0
  6 43  1  0  0  0
  7  8  1  0  0  0
  7 44  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 12  2  0  0  0
 10 11  2  0  0  0
 10 45  1  0  0  0
 11 14  1  0  0  0
 11 47  1  0  0  0
 12 13  1  0  0  0
 12 46  1  0  0  0
 13 14  2  0  0  0
 13 48  1  0  0  0
 14 15  1  0  0  0
 15 16  2  0  0  0
 15 17  2  0  0  0
 15 18  1  0  0  0
 18 49  1  0  0  0
 18 70  1  0  0  0
 19 20  1  0  0  0
 19 39  1  0  0  0
 20 21  2  0  0  0
 20 22  2  0  0  0
 20 23  1  0  0  0
 23 24  1  0  0  0
 23 28  2  0  0  0
 24 25  2  0  0  0
 24 50  1  0  0  0
 25 26  1  0  0  0
 25 52  1  0  0  0
 26 27  2  0  0  0
 26 53  1  0  0  0
 27 28  1  0  0  0
 27 54  1  0  0  0
 28 51  1  0  0  0
 29 30  1  0  0  0
 29 31  1  0  0  0
 29 37  1  0  0  0
 29 39  1  0  0  0
 30 55  1  0  0  0
 30 56  1  0  0  0
 30 57  1  0  0  0
 31 32  1  0  0  0
 31 33  2  0  0  0
 31 39  1  0  0  0
 32 58  1  0  0  0
 32 59  1  0  0  0
 32 60  1  0  0  0
 33 34  1  0  0  0
 33 35  1  0  0  0
 33 39  1  0  0  0
 34 61  1  0  0  0
 34 62  1  0  0  0
 34 63  1  0  0  0
 35 36  1  0  0  0
 35 37  2  0  0  0
 35 39  1  0  0  0
 36 64  1  0  0  0
 36 65  1  0  0  0
 36 66  1  0  0  0
 37 38  1  0  0  0
 37 39  1  0  0  0
 38 67  1  0  0  0
 38 68  1  0  0  0
 38 69  1  0  0  0
M  CHG  1   1  -1
M  CHG  1  19  -1
M  CHG  1  29  -1
M  END
$$$$
